* LIGAND DATABASE FILE (OPLS2005)
*
001      85    88    165    270     495
    1     0 S   NP   _N1_     1    28.77087    95.65356   -24.04772
    2     1 S   H    _HN1     2     1.02784   108.08239   -93.78162
    3     1 S   H    _H1_     3     1.02950    77.76048    11.77616
    4     1 S   H    _H2_     4     1.02829    31.23390   171.36601
    5     1 S   CT   _CA1     5     1.50111   132.94012   118.36626
    6     5 S   HC   _HA1     6     1.09573   105.20477    85.50928
    7     5 S   CO3  _C1_     7     1.53788   112.44225   -34.73891
    8     7 S   O2Z  _O11     8     1.26371   115.00474   -42.99810
    9     7 S   O2Z  _O12     9     1.26238   114.94525   136.14863
   10     5 S   CT   _CB1    10     1.53085   107.42747  -156.50757
   11    10 S   HC   HB11    11     1.09832   109.38127   -49.81602
   12    10 S   HC   HB12    12     1.09813   110.44266    66.78995
   13    10 S   CT   _CG1    13     1.52993   112.60444  -170.80016
   14    13 S   HC   HG11    14     1.09583   110.61756   -65.28813
   15    13 S   HC   HG12    15     1.09670   109.80182    53.94068
   16    13 S   C    _CD1    16     1.51801   112.24249   174.39667
   17    16 S   O    _OE1    17     1.22732   123.30006     6.25614
   18    16 S   N    _N2_    18     1.38653   111.67205  -173.89170
   19    18 S   H    _HN2    19     1.01591   118.94682     1.62546
   20    18 S   CT1  _CA2    20     1.46184   123.37466   177.55800
   21    20 S   HC   _HA2    21     1.09738   109.36608     1.18201
   22    20 S   C    _C2_    22     1.53524   108.59503  -114.26847
   23    22 S   O    _O2_    23     1.23051   122.29524  -148.06461
   24    20 S   CT   _CB2    32     1.53272   111.61351   123.17341
   25    24 S   HC   HB21    33     1.09614   110.13304    56.61150
   26    24 S   HC   HB22    34     1.09551   110.19136   175.17063
   27    22 S   N    _N3_    24     1.38331   113.67363    39.40910
   28    27 S   H    _HN3    25     1.01592   119.58130    -3.42703
   29    24 S   S    _SG2    35     1.82794   111.51786   -64.66679
   30    27 S   CT   _CA3    26     1.45284   123.19727   177.08006
   31    30 S   HC   HA31    27     1.09549   107.51990   -64.32931
   32    30 S   HC   HA32    28     1.09557   107.97433    52.10651
   33    29 S   CM   _C10    36     1.77086    99.50945  -177.15194
   34    30 S   CO3  _C3_    29     1.52954   114.08081   174.09844
   35    34 S   O2Z  _O31    30     1.26376   116.06291    -0.58081
   36    34 S   O2Z  _O32    31     1.26426   114.41147   179.47623
   37    33 S   CM   _C11    37     1.34698   117.24251   -78.07010
   38    37 S   F    _F24    38     1.35281   120.65758    -0.15066
   39    37 S   F    _F25    39     1.34899   121.38334  -179.02181
   40    33 S   CT   _C21    40     1.54476   116.73894   101.75386
   41    40 S   CT   _C16    41     1.56033   114.64764  -153.10082
   42    41 S   HC   _H38    42     1.09811   111.01673   139.18357
   43    41 S   HC   _H39    43     1.09488   113.10444    21.64190
   44    40 S   OH   _O22    84     1.43522   108.11674   -35.72945
   45    44 S   HO   _H51    85     0.97313   107.29274    60.05284
   46    41 S   CT   _C15    44     1.54046   107.31479  -101.84600
   47    46 S   HC   _H36    45     1.09495   111.13608   124.56445
   48    46 S   HC   _H37    46     1.09590   110.15568  -116.48008
   49    46 S   CT   _C20    47     1.52627   105.06472     3.76177
   50    49 S   HC   _H44    48     1.09967   106.61939    83.96414
   51    49 S   CT   _C19    49     1.53183   118.31191  -156.81735
   52    51 S   HC   _H43    50     1.09740   109.53653    62.23181
   53    51 S   CT   _C13    51     1.53103   112.49720   -56.99412
   54    53 S   HC   _H32    52     1.09560   111.33313    53.41030
   55    53 S   HC   _H33    53     1.09772   110.03297   -64.90040
   56    51 S   CT   _C18    66     1.55776   109.00141  -177.78468
   57    56 S   HC   _H42    67     1.10120   107.54925    62.41403
   58    53 S   CT   _C12    54     1.52590   109.86378   173.96766
   59    58 S   HC   _H30    55     1.09763   108.95771   -75.65475
   60    58 S   HC   _H31    56     1.09677   108.60800   167.60304
   61    56 S   CT   _C14    68     1.55062   111.16402   -53.50903
   62    61 S   HC   _H34    69     1.09623   110.04010   -73.24898
   63    61 S   HC   _H35    70     1.09635   110.11744   170.32634
   64    58 S   CA   _C8_    57     1.50926   114.03319    44.82139
   65    61 S   CT   _C17    71     1.54159   113.28583    50.75634
   66    65 S   HC   _H40    72     1.09615   106.86011    68.81980
   67    65 S   HC   _H41    73     1.09646   109.43382  -175.95959
   68    64 S   CA   _C6_    58     1.40694   117.76593   167.89497
   69    68 S   HA   _H29    59     1.08891   119.42130    -0.97819
   70    40 S   CT   _C22    74     1.57663   115.92725    89.01001
   71    68 S   CA   _C9_    60     1.39636   121.38993   179.12330
   72    70 S   CT   _C23    75     1.55950   109.60937  -157.51119
   73    72 S   HC   _H45    76     1.09426   112.64325   -50.20804
   74    72 S   HC   _H46    77     1.09263   113.13869  -171.05787
   75    72 S   HC   _H47    78     1.09636   110.50721    69.73809
   76    71 S   CA   _C5_    61     1.39124   118.89965     0.04846
   77    76 S   HA   _H28    62     1.08552   121.95690   179.25954
   78    71 S   OS   _O23    79     1.36880   115.08720   179.80719
   79    76 S   CA   _C4_    63     1.39972   120.20445    -0.47147
   80    79 S   HA   _H27    64     1.08622   117.35823   178.90980
   81    78 S   CT   _C24    80     1.42275   116.76812   179.70129
   82    81 S   HC   _H48    81     1.09428   107.75473  -179.62780
   83    81 S   HC   _H49    82     1.09501   111.11848    62.61879
   84    81 S   HC   _H50    83     1.09504   111.14961   -61.85330
   85    64 S   CA   _C7_    65     1.40962   122.35686   -14.52542
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   8   5   4   3
  14   2   1   1   6   2   1  20  13   7   6   6   1  11   5   4
  19   7  18   9  12   6   5  15   7   8   4   3  10   6   5   8
   8   3   2   8   4   4  10   3   2   1   1   6   4   5   2   1
   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    70    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    46    49    65    70    72    44    45  
   35    36  
   36  
    0  
   38    39    40    41    70    44  
   39    40  
   40  
   41    42    43    46    47    48    49    50    51    61    65    66    67    70    72    73    74    75    44    45  
   42    43    46    47    48    49    50    51    65    70    72    44    45  
   43    46    47    48    49    70    44  
   46    47    48    49    70    44  
   45    46    49    65    70    72  
   70  
   47    48    49    50    51    52    53    56    65    70    72  
   48    49    50    51    70  
   49    50    51    70  
   50    51    52    53    54    55    58    85    56    57    61    65    66    67    70    72    73    74    75  
   51    52    53    56    65    70    72  
   52    53    54    55    58    59    60    64    79    85    56    57    61    62    63    65    70    72  
   53    54    55    58    85    56    57    61    70  
   54    55    58    59    60    64    68    85    56    57    61    70  
   55    58    59    60    64    56  
   58    59    60    64    56  
   57    61    62    63    65    66    67    70    58    64    68    76    79    80    85  
   61    62    63    65    64    79    85  
   59    60    64    68    69    71    79    85  
   60    64    68    85  
   64    68    85  
   62    63    65    66    67    70    72    64    79    85  
   63    65    66    67    70    85  
   65    66    67    70    85  
   68    69    71    76    79    80    85    78  
   66    67    70    72    73    74    75    85  
   67    70    72  
   70    72  
   69    71    76    77    79    85    78    81  
   71    76    85    78  
   72    73    74    75  
   76    77    79    80    85    78    81    82    83    84  
   73    74    75  
   74    75  
   75  
    0  
   77    79    80    85    78    81  
   79    80    85    78  
   81    82    83    84    79  
   80    85  
   85  
   82    83    84  
   83    84  
   84  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.254000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.9500   0.0530  -0.127000   2.4980   2.2250   0.001000000   0.985400000
   39   2.9500   0.0530  -0.127000   2.4980   2.2250   0.001000000   0.985400000
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   240.000  1.763
   33    37   549.000  1.340
   33    40   317.000  1.510
   37    38   480.000  1.343
   37    39   480.000  1.343
   40    41   268.000  1.529
   40    70   268.000  1.529
   40    44   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    70   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   317.000  1.510
   64    68   469.000  1.400
   64    85   469.000  1.400
   68    69   367.000  1.080
   68    71   469.000  1.400
   71    76   469.000  1.400
   71    78   450.000  1.364
   76    77   367.000  1.080
   76    79   469.000  1.400
   79    80   367.000  1.080
   79    85   469.000  1.400
   85    56   317.000  1.510
   56    57   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   268.000  1.529
   70    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   78    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   44    45   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    40    65.00000  117.37300
   33    37    38    75.00000  119.07600
   33    37    39    75.00000  119.07600
   33    40    41    70.00000  112.02700
   33    40    70    70.00000  112.02700
   33    40    44    90.00000  110.39200
   39    37    38   105.00000  109.97200
   40    33    37    70.00000  124.00000
   40    41    42    37.50000  110.70000
   40    41    43    37.50000  110.70000
   40    41    46    58.35000  112.70000
   40    70    49    58.35000  112.70000
   40    70    65    58.35000  112.70000
   40    70    72    58.35000  112.70000
   40    44    45    55.00000  108.50000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    58.35000  112.70000
   43    41    42    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    43    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    51    58.35000  112.70000
   46    49    70    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    51    52    37.50000  110.70000
   49    51    53    58.35000  112.70000
   49    51    56    58.35000  112.70000
   49    70    65    58.35000  112.70000
   49    70    72    58.35000  112.70000
   51    49    50    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    58    58.35000  112.70000
   51    56    85    70.00000  112.17500
   51    56    57    37.50000  110.70000
   51    56    61    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    64    70.00000  112.17500
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    64    68    70.00000  120.00000
   58    64    85    70.00000  120.00000
   60    58    59    33.00000  107.80000
   64    58    59    35.00000  109.50000
   64    58    60    35.00000  109.50000
   64    68    69    35.00000  120.00000
   64    68    71    63.00000  120.00000
   64    85    79    63.00000  120.00000
   64    85    56    70.00000  120.00000
   68    71    76    63.00000  120.00000
   68    71    78    70.00000  120.00000
   71    68    69    35.00000  120.00000
   71    76    77    35.00000  120.00000
   71    76    79    63.00000  120.00000
   71    78    81    75.00000  111.00000
   76    79    80    35.00000  120.00000
   76    79    85    63.00000  120.00000
   79    76    77    35.00000  120.00000
   79    85    56    70.00000  120.00000
   85    64    68    63.00000  120.00000
   85    79    80    35.00000  120.00000
   85    56    57    35.00000  109.50000
   85    56    61    70.00000  112.17500
   56    51    52    37.50000  110.70000
   56    51    53    58.35000  112.70000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    65    58.35000  112.70000
   61    56    57    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    70    58.35000  112.70000
   63    61    62    33.00000  107.80000
   65    61    62    37.50000  110.70000
   65    61    63    37.50000  110.70000
   65    70    72    58.35000  112.70000
   67    65    66    33.00000  107.80000
   70    40    41    58.35000  112.70000
   70    49    50    37.50000  110.70000
   70    49    51    58.35000  112.70000
   70    65    66    37.50000  110.70000
   70    65    67    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    72    75    37.50000  110.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   78    71    76    70.00000  120.00000
   78    81    82    35.00000  109.50000
   78    81    83    35.00000  109.50000
   78    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   44    40    41    50.00000  109.50000
   44    40    70    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.00000  1.0 1.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   1.00000 -1.0 2.0
   24    29    33    40   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   7.00000 -1.0 2.0
   29    33    37    39   7.00000 -1.0 2.0
   29    33    40    41   0.09700  1.0 1.0
   29    33    40    41   0.15600 -1.0 2.0
   29    33    40    41  -0.50800  1.0 3.0
   29    33    40    70   0.09700  1.0 1.0
   29    33    40    70   0.15600 -1.0 2.0
   29    33    40    70  -0.50800  1.0 3.0
   29    33    40    44   0.09700  1.0 1.0
   29    33    40    44   0.15600 -1.0 2.0
   29    33    40    44  -0.50800  1.0 3.0
   33    40    41    42   0.15000  1.0 3.0
   33    40    41    43   0.15000  1.0 3.0
   33    40    41    46   0.34400  1.0 1.0
   33    40    41    46   0.09450 -1.0 2.0
   33    40    41    46   0.11100  1.0 3.0
   33    40    70    49   0.34400  1.0 1.0
   33    40    70    49   0.09450 -1.0 2.0
   33    40    70    49   0.11100  1.0 3.0
   33    40    70    65   0.34400  1.0 1.0
   33    40    70    65   0.09450 -1.0 2.0
   33    40    70    65   0.11100  1.0 3.0
   33    40    70    72   0.34400  1.0 1.0
   33    40    70    72   0.09450 -1.0 2.0
   33    40    70    72   0.11100  1.0 3.0
   33    40    44    45  -0.07800  1.0 1.0
   33    40    44    45  -0.21500 -1.0 2.0
   33    40    44    45  -0.03150  1.0 3.0
   37    33    40    41   0.09850  1.0 1.0
   37    33    40    41   0.15250 -1.0 2.0
   37    33    40    41  -0.50650  1.0 3.0
   37    33    40    70   0.09850  1.0 1.0
   37    33    40    70   0.15250 -1.0 2.0
   37    33    40    70  -0.50650  1.0 3.0
   37    33    40    44   0.67800  1.0 1.0
   37    33    40    44   0.47050 -1.0 2.0
   37    33    40    44  -0.62500  1.0 3.0
   40    33    37    38   7.00000 -1.0 2.0
   40    33    37    39   7.00000 -1.0 2.0
   40    41    46    47   0.15000  1.0 3.0
   40    41    46    48   0.15000  1.0 3.0
   40    41   -46    49   0.56750  1.0 1.0
   40    41   -46    49  -0.07550 -1.0 2.0
   40    41   -46    49   0.20000  1.0 3.0
   40    70    72    73   0.15000  1.0 3.0
   40    70    72    74   0.15000  1.0 3.0
   40    70    72    75   0.15000  1.0 3.0
   41    40   -70    49   0.56750  1.0 1.0
   41    40   -70    49  -0.07550 -1.0 2.0
   41    40   -70    49   0.20000  1.0 3.0
   41    40    70    65   0.56750  1.0 1.0
   41    40    70    65  -0.07550 -1.0 2.0
   41    40    70    65   0.20000  1.0 3.0
   41    40    70    72   0.56750  1.0 1.0
   41    40    70    72  -0.07550 -1.0 2.0
   41    40    70    72   0.20000  1.0 3.0
   41    40    44    45  -0.11600  1.0 1.0
   41    40    44    45  -0.09450 -1.0 2.0
   41    40    44    45   0.21250  1.0 3.0
   41    46    49    50   0.15000  1.0 3.0
   41    46    49    51   0.56750  1.0 1.0
   41    46    49    51  -0.07550 -1.0 2.0
   41    46    49    51   0.20000  1.0 3.0
   41    46   -49    70   0.56750  1.0 1.0
   41    46   -49    70  -0.07550 -1.0 2.0
   41    46   -49    70   0.20000  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    49   0.15000  1.0 3.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    48   0.15000  1.0 3.0
   43    41    46    49   0.15000  1.0 3.0
   46    49    51    52   0.15000  1.0 3.0
   46    49    51    53   0.56750  1.0 1.0
   46    49    51    53  -0.07550 -1.0 2.0
   46    49    51    53   0.20000  1.0 3.0
   46    49    51    56   0.56750  1.0 1.0
   46    49    51    56  -0.07550 -1.0 2.0
   46    49    51    56   0.20000  1.0 3.0
   46    49   -70    40   0.56750  1.0 1.0
   46    49   -70    40  -0.07550 -1.0 2.0
   46    49   -70    40   0.20000  1.0 3.0
   46    49    70    65   0.56750  1.0 1.0
   46    49    70    65  -0.07550 -1.0 2.0
   46    49    70    65   0.20000  1.0 3.0
   46    49    70    72   0.56750  1.0 1.0
   46    49    70    72  -0.07550 -1.0 2.0
   46    49    70    72   0.20000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    70   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    70   0.15000  1.0 3.0
   49    51    53    54   0.15000  1.0 3.0
   49    51    53    55   0.15000  1.0 3.0
   49    51    53    58   0.56750  1.0 1.0
   49    51    53    58  -0.07550 -1.0 2.0
   49    51    53    58   0.20000  1.0 3.0
   49    51    56    85  -0.03700  1.0 1.0
   49    51    56    85   0.37200 -1.0 2.0
   49    51    56    85  -0.47300  1.0 3.0
   49    51    56    57   0.15000  1.0 3.0
   49    51    56    61   0.56750  1.0 1.0
   49    51    56    61  -0.07550 -1.0 2.0
   49    51    56    61   0.20000  1.0 3.0
   49    70    72    73   0.15000  1.0 3.0
   49    70    72    74   0.15000  1.0 3.0
   49    70    72    75   0.15000  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    56   0.15000  1.0 3.0
   50    49    70    40   0.15000  1.0 3.0
   50    49    70    65   0.15000  1.0 3.0
   50    49    70    72   0.15000  1.0 3.0
   51    49    70    40   0.56750  1.0 1.0
   51    49    70    40  -0.07550 -1.0 2.0
   51    49    70    40   0.20000  1.0 3.0
   51    49    70    65   0.56750  1.0 1.0
   51    49    70    65  -0.07550 -1.0 2.0
   51    49    70    65   0.20000  1.0 3.0
   51    49    70    72   0.56750  1.0 1.0
   51    49    70    72  -0.07550 -1.0 2.0
   51    49    70    72   0.20000  1.0 3.0
   51    53    58    59   0.15000  1.0 3.0
   51    53    58    60   0.15000  1.0 3.0
   51    53    58    64  -0.03700  1.0 1.0
   51    53    58    64   0.37200 -1.0 2.0
   51    53    58    64  -0.47300  1.0 3.0
   51    56    61    62   0.15000  1.0 3.0
   51    56    61    63   0.15000  1.0 3.0
   51    56   -61    65   0.56750  1.0 1.0
   51    56   -61    65  -0.07550 -1.0 2.0
   51    56   -61    65   0.20000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    58   0.15000  1.0 3.0
   52    51    56    85   0.43200  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    61   0.15000  1.0 3.0
   53    51    56    85  -0.03700  1.0 1.0
   53    51    56    85   0.37200 -1.0 2.0
   53    51    56    85  -0.47300  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    61   0.56750  1.0 1.0
   53    51    56    61  -0.07550 -1.0 2.0
   53    51    56    61   0.20000  1.0 3.0
   53    58    64    68   0.04150 -1.0 2.0
   53    58   -64    85   0.04150 -1.0 2.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   54    53    58    64   0.43200  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    60   0.15000  1.0 3.0
   55    53    58    64   0.43200  1.0 3.0
   58    64    68    69   3.62500 -1.0 2.0
   58    64    68    71   3.62500 -1.0 2.0
   58    64    85    79   3.62500 -1.0 2.0
   58    64    85    56   3.62500 -1.0 2.0
   59    58    64    68   0.00000  1.0 1.0
   59    58    64    85   0.00000  1.0 1.0
   60    58    64    68   0.00000  1.0 1.0
   60    58    64    85   0.00000  1.0 1.0
   64    68    71    76   3.62500 -1.0 2.0
   64    68    71    78   3.62500 -1.0 2.0
   64    85   -56    51   0.04150 -1.0 2.0
   64    85    56    57   0.00000  1.0 1.0
   64    85    56    61   0.04150 -1.0 2.0
   68    64    85    79   3.62500 -1.0 2.0
   68    64    85    56   3.62500 -1.0 2.0
   68    71    76    77   3.62500 -1.0 2.0
   68    71   -76    79   3.62500 -1.0 2.0
   68    71    78    81   1.63200 -1.0 2.0
   69    68    71    76   3.62500 -1.0 2.0
   69    68    71    78   3.62500 -1.0 2.0
   71    76    79    80   3.62500 -1.0 2.0
   71    76    79    85   3.62500 -1.0 2.0
   71    78    81    82   0.08050  1.0 3.0
   71    78    81    83   0.08050  1.0 3.0
   71    78    81    84   0.08050  1.0 3.0
   76    71    78    81   1.63200 -1.0 2.0
   76    79   -85    64   3.62500 -1.0 2.0
   76    79    85    56   3.62500 -1.0 2.0
   77    76    79    80   3.62500 -1.0 2.0
   77    76    79    85   3.62500 -1.0 2.0
   79    85    56    51   0.04150 -1.0 2.0
   79    85    56    57   0.00000  1.0 1.0
   79    85    56    61   0.04150 -1.0 2.0
   80    79    85    64   3.62500 -1.0 2.0
   80    79    85    56   3.62500 -1.0 2.0
   85    64    68    69   3.62500 -1.0 2.0
   85    64   -68    71   3.62500 -1.0 2.0
   85    56    61    62   0.43200  1.0 3.0
   85    56    61    63   0.43200  1.0 3.0
   85    56    61    65  -0.03700  1.0 1.0
   85    56    61    65   0.37200 -1.0 2.0
   85    56    61    65  -0.47300  1.0 3.0
   56    51    53    54   0.15000  1.0 3.0
   56    51    53    55   0.15000  1.0 3.0
   56    51   -53    58   0.56750  1.0 1.0
   56    51   -53    58  -0.07550 -1.0 2.0
   56    51   -53    58   0.20000  1.0 3.0
   56    61    65    66   0.15000  1.0 3.0
   56    61    65    67   0.15000  1.0 3.0
   56    61    65    70   0.56750  1.0 1.0
   56    61    65    70  -0.07550 -1.0 2.0
   56    61    65    70   0.20000  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    65   0.15000  1.0 3.0
   61    65    70    40   0.56750  1.0 1.0
   61    65    70    40  -0.07550 -1.0 2.0
   61    65    70    40   0.20000  1.0 3.0
   61    65   -70    49   0.56750  1.0 1.0
   61    65   -70    49  -0.07550 -1.0 2.0
   61    65   -70    49   0.20000  1.0 3.0
   61    65    70    72   0.56750  1.0 1.0
   61    65    70    72  -0.07550 -1.0 2.0
   61    65    70    72   0.20000  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    67   0.15000  1.0 3.0
   62    61    65    70   0.15000  1.0 3.0
   63    61    65    66   0.15000  1.0 3.0
   63    61    65    67   0.15000  1.0 3.0
   63    61    65    70   0.15000  1.0 3.0
   65    70    72    73   0.15000  1.0 3.0
   65    70    72    74   0.15000  1.0 3.0
   65    70    72    75   0.15000  1.0 3.0
   66    65    70    40   0.15000  1.0 3.0
   66    65    70    49   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   67    65    70    40   0.15000  1.0 3.0
   67    65    70    49   0.15000  1.0 3.0
   67    65    70    72   0.15000  1.0 3.0
   70    40    41    42   0.15000  1.0 3.0
   70    40    41    43   0.15000  1.0 3.0
   70    40   -41    46   0.56750  1.0 1.0
   70    40   -41    46  -0.07550 -1.0 2.0
   70    40   -41    46   0.20000  1.0 3.0
   70    40    44    45  -0.11600  1.0 1.0
   70    40    44    45  -0.09450 -1.0 2.0
   70    40    44    45   0.21250  1.0 3.0
   70    49    51    52   0.15000  1.0 3.0
   70    49    51    53   0.56750  1.0 1.0
   70    49    51    53  -0.07550 -1.0 2.0
   70    49    51    53   0.20000  1.0 3.0
   70    49   -51    56   0.56750  1.0 1.0
   70    49   -51    56  -0.07550 -1.0 2.0
   70    49   -51    56   0.20000  1.0 3.0
   78    71    76    77   3.62500 -1.0 2.0
   78    71    76    79   3.62500 -1.0 2.0
   44    40    41    42   0.23400  1.0 3.0
   44    40    41    43   0.23400  1.0 3.0
   44    40    41    46   0.86500  1.0 1.0
   44    40    41    46  -0.17500 -1.0 2.0
   44    40    41    46   0.20800  1.0 3.0
   44    40    70    49   0.86500  1.0 1.0
   44    40    70    49  -0.17500 -1.0 2.0
   44    40    70    49   0.20800  1.0 3.0
   44    40    70    65   0.86500  1.0 1.0
   44    40    70    65  -0.17500 -1.0 2.0
   44    40    70    65   0.20800  1.0 3.0
   44    40    70    72   0.86500  1.0 1.0
   44    40    70    72  -0.17500 -1.0 2.0
   44    40    70    72   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   29    40    33    37  15.00000 -1.0 2.0
   38    39    37    33  15.00000 -1.0 2.0
   68    85    64    58   4.00000 -1.0 2.0
   71    69    68    64   1.10000 -1.0 2.0
   76    78    71    68   4.00000 -1.0 2.0
   79    77    76    71   1.10000 -1.0 2.0
   85    80    79    76   1.10000 -1.0 2.0
   79    56    85    64   4.00000 -1.0 2.0
END
